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|---|---|---|
| Other Sizes |
| Targets |
2-Hydroxymethyltetrahydropyran does not have specific biological targets as it is a volatile organic compound. Its relevance to biological activity is through its presence in Sambucus williamsii seed oil, which has potential antioxidant activity. The compound itself is a chemical intermediate and solvent rather than a pharmacologically active agent.
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|---|---|
| ln Vitro |
Specific in vitro activity data for 2-Hydroxymethyltetrahydropyran are not reported. The compound is a constituent of Sambucus williamsii seed oil, which has potential antioxidant activity. The antioxidant activity is attributed to the oil as a whole rather than to this specific compound. The compound itself is not typically evaluated for biological activity in vitro.
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| ln Vivo |
Specific in vivo data for 2-Hydroxymethyltetrahydropyran are not reported. As a volatile compound found in plant seed oil, it is not used as a therapeutic agent. Its presence in Sambucus williamsii seed oil may contribute to the oil's properties, but the compound itself is not administered in vivo for pharmacological studies.
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| Enzyme Assay |
No biological assay protocols for 2-Hydroxymethyltetrahydropyran are reported as it is not a biologically active compound. The compound is characterized by standard analytical chemistry methods including GC for purity assessment and NMR for structural confirmation. It has a purity of >96.0% by GC and a molecular weight of 116.16 g/mol.
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| Cell Assay |
2-Hydroxymethyltetrahydropyran is not used in cellular assays as it is not a biologically active compound. It is a chemical reagent and solvent used in organic synthesis. The compound has a molecular formula of C₆H₁₂O₂ and a molecular weight of 116.16 g/mol. It is typically stored at room temperature.
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| Animal Protocol |
No in vivo protocols for 2-Hydroxymethyltetrahydropyran are reported. The compound is not used in animal studies.
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| ADME/Pharmacokinetics |
Pharmacokinetic data for 2-Hydroxymethyltetrahydropyran are not applicable as it is not a therapeutic compound. The compound has a molecular formula of C₆H₁₂O₂ and a molecular weight of 116.16 g/mol. It is a volatile liquid with a boiling point suitable for GC analysis.
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| Toxicity/Toxicokinetics |
2-Hydroxymethyltetrahydropyran is a chemical reagent and should be handled with appropriate safety precautions. It is flammable and may cause irritation to skin, eyes, and respiratory tract. Standard laboratory safety practices should be followed, including the use of gloves, eye protection, and proper ventilation in a fume hood.
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| References | |
| Additional Infomation |
2-Methanoltetrahydropyran belongs to the oxacyclohexane class of compounds. Tetrahydropyran-2-methanol has been reported to be present in tomatoes, and relevant data are available for reference.
2-Hydroxymethyltetrahydropyran (Tetrahydropyran-2-methanol) is a cyclic ether and volatile compound found in Sambucus williamsii seed oil. Molecular formula: C₆H₁₂O₂, molecular weight: 116.16. No clinical applications exist. For research use only as a chemical reagent. |
| Molecular Formula |
C6H12O2
|
|---|---|
| Molecular Weight |
116.16
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| Exact Mass |
116.083
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| CAS # |
100-72-1
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| PubChem CID |
7524
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| Appearance |
Colorless to light yellow liquid
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| Density |
1.0±0.1 g/cm3
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| Boiling Point |
183.9±8.0 °C at 760 mmHg
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| Melting Point |
187°C
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| Flash Point |
93.3±0.0 °C
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| Vapour Pressure |
0.2±0.8 mmHg at 25°C
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| Index of Refraction |
1.445
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| LogP |
0.18
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
1
|
| Heavy Atom Count |
8
|
| Complexity |
63.5
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])C([H])([H])O[H]
|
| InChi Key |
ROTONRWJLXYJBD-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2
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| Chemical Name |
oxan-2-ylmethanol
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (860.88 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (21.52 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (21.52 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (21.52 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 8.6088 mL | 43.0441 mL | 86.0882 mL | |
| 5 mM | 1.7218 mL | 8.6088 mL | 17.2176 mL | |
| 10 mM | 0.8609 mL | 4.3044 mL | 8.6088 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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